6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide

C18H21FN4O — CID 146153254

IUPAC6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)Nc3cccc(F)c3)cn2)C[C@H](C)N1
InChIInChI=1S/C18H21FN4O/c1-12-10-23(11-13(2)21-12)17-7-6-14(9-20-17)18(24)22-16-5-3-4-15(19)8-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,22,24)/t12-,13+
InChIKeyYCPMXULNZZLBDA-BETUJISGSA-N
MW328.39 g/mol
LogP2.66
Rot. Bonds3

About 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide

6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 146153254) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID146153254
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)Nc3cccc(F)c3)cn2)C[C@H](C)N1
InChIInChI=1S/C18H21FN4O/c1-12-10-23(11-13(2)21-12)17-7-6-14(9-20-17)18(24)22-16-5-3-4-15(19)8-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,22,24)/t12-,13+
InChIKeyYCPMXULNZZLBDA-BETUJISGSA-N
XLogP2.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 123950096
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 143465750
N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 95105620
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 59826576
6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 136577207
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
CID 47460385
6-[(3S)-1-acetylpiperidin-3-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 95825978
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 16730301
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide (CID 146153254) is 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide is C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(F)c3)cn2)C[C@H](C)N1.
What is the InChIKey of 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is YCPMXULNZZLBDA-BETUJISGSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-10-23(11-13(2)21-12)17-7-6-14(9-20-17)18(24)22-16-5-3-4-15(19)8-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,22,24)/t12-,13+.
What are the key properties of 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide?
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 146153254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).